SCHEMBL21383095

SCHEMBL21383095

COC(=O)c1cccnc1COc1ccc(OC)cc1C=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.48
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
LMNA P02545 1/20 0.46
SYK P43405 4/20 0.44
POLB P06746 1/20 0.43
RECQL P46063 1/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
CYP1A2 P05177 1/20 0.43
HSP90AA1 P07900 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SGMS2 Q8NHU3 1/20 0.42
LRRK2 Q5S007 1/20 0.41
MAPK8 P45983 1/20 0.41
TUBB1 Q9H4B7 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21383354 0.82 KDM4E (0.48) RAB9AKDM4EMEN1KMT2ALMNA
SCHEMBL21383403 0.76 KDM4E (0.49) RAB9AKDM4EKMT2ASYKRECQL
SCHEMBL21383303 0.76 MRGPRX4 (0.58) RAB9AKDM4ETUBB1ERN1TRIM24
SCHEMBL21383167 0.75 CYP1A2 (0.48) KDM4EKMT2ALMNASYKPOLB
SCHEMBL15474708 0.75 SYK (0.63) KDM4ESYKALDH1A1SMN1; SMN2TUBB1
SCHEMBL21383370 0.74 KDM4E (0.49) RAB9AKDM4EMEN1KMT2ARECQL
SCHEMBL21383273 0.74 KDM4E (0.49) RAB9AKDM4EKMT2ALMNARECQL
SCHEMBL22912507 0.73 TDP1 (0.51) RAB9AKDM4EKMT2ALMNAPOLB
SCHEMBL15065486 0.73 KDM4E (0.48) RAB9AKDM4EALDH1A1CYP1A2MAPT
SCHEMBL29477092 0.73 HTR1A (0.55) RAB9AKDM4EMEN1KMT2ALMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240109843-A1 BENZALDEHYDE COMPOUNDS WITH DIRECT POLYMER DESTABILIZING EFFECTS TO TREAT SICKLE CELL DISEASE KING ABDULAZIZ UNIVERSITY (SA) 2024-04-04 US disclosed
US-20220340531-A1 AROMATIC ALDEHYDES WITH SUSTAINED AND ENHANCED IN VITRO AND IN VIVO PHARMACOLOGIC ACTIVITY TO TREAT SICKLE CELL DISEASE VIRGINIA COMMONWEALTH UNIVERSITY 2022-10-27 US disclosed
US-11401241-B2 Aromatic aldehydes with sustained and enhanced in vitro and in vivo pharmacologic activity to treat sickle cell disease VIRGINIA COMMONWEALTH UNIVERSITY (US) 2022-08-02 US disclosed
US-11401241-B2 Aromatic aldehydes with sustained and enhanced in vitro and in vivo pharmacologic activity to treat sickle cell disease VIRGINIA COMMONWEALTH UNIVERSITY (US) 2022-08-02 US disclosed
EP-3768264-A1 AROMATIC ALDEHYDES WITH SUSTAINED AND ENHANCED IN VITRO AND IN VIVO PHARMACOLOGIC ACTIVITY TO TREAT SICKLE CELL DISEASE Virginia Commonwealth University (US) 2021-01-27 EP disclosed
US-20210002225-A1 AROMATIC ALDEHYDES WITH SUSTAINED AND ENHANCED IN VITRO AND IN VIVO PHARMACOLOGIC ACTIVITY TO TREAT SICKLE CELL DISEASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-01-07 US disclosed
US-20210002225-A1 AROMATIC ALDEHYDES WITH SUSTAINED AND ENHANCED IN VITRO AND IN VIVO PHARMACOLOGIC ACTIVITY TO TREAT SICKLE CELL DISEASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-01-07 US disclosed
WO-2019182938-A1 AROMATIC ALDEHYDES WITH SUSTAINED AND ENHANCED IN VITRO AND IN VIVO PHARMACOLOGIC ACTIVITY TO TREAT SICKLE CELL DISEASE VIRGINIA COMMONWEALTH UNIVERSITY (US) 2019-09-26 WO disclosed
WO-2019182938-A1 AROMATIC ALDEHYDES WITH SUSTAINED AND ENHANCED IN VITRO AND IN VIVO PHARMACOLOGIC ACTIVITY TO TREAT SICKLE CELL DISEASE VIRGINIA COMMONWEALTH UNIVERSITY (US) 2019-09-26 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220340531-A1 AROMATIC ALDEHYDES WITH SUSTAINED AND ENHANCED IN VITRO AND IN VIVO PHARMACOLOGIC ACTIVITY TO TREAT SICKLE CELL DISEASE HBG1, HBG2, HBB RAB9A 2448/4885KDM4E 1831/4885MEN1 4118/4885
US-20240109843-A1 BENZALDEHYDE COMPOUNDS WITH DIRECT POLYMER DESTABILIZING EFFECTS TO TREAT SICKLE CELL DISEASE HBG1, HBB, HBG2 RAB9A 2532/4885KDM4E 2857/4885MEN1 4119/4885
US-20210002225-A1 AROMATIC ALDEHYDES WITH SUSTAINED AND ENHANCED IN VITRO AND IN VIVO PHARMACOLOGIC ACTIVITY TO TREAT SICKLE CELL DISEASE HBG1, HBG2, HBB RAB9A 2448/4885KDM4E 1831/4885MEN1 4118/4885
US-11401241-B2 Aromatic aldehydes with sustained and enhanced in vitro and in vivo pharmacologic activity to treat sickle cell disease HBG1, HBG2, HBB RAB9A 2448/4885KDM4E 1831/4885MEN1 4118/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.